4-(aminomethyl)-5-bromo-6-(difluoromethyl)-1H-pyridin-2-one

C7H7BrF2N2O — CID 118812865

IUPAC4-(aminomethyl)-5-bromo-6-(difluoromethyl)-1H-pyridin-2-one
SMILESNCc1cc(=O)[nH]c(C(F)F)c1Br
InChIInChI=1S/C7H7BrF2N2O/c8-5-3(2-11)1-4(13)12-6(5)7(9)10/h1,7H,2,11H2,(H,12,13)
InChIKeyWTQCMCUTXUNNSP-UHFFFAOYSA-N
MW253.05 g/mol
LogP1.53
Rot. Bonds2

About 4-(aminomethyl)-5-bromo-6-(difluoromethyl)-1H-pyridin-2-one

4-(aminomethyl)-5-bromo-6-(difluoromethyl)-1H-pyridin-2-one (PubChem CID 118812865) has the molecular formula C7H7BrF2N2O and a molecular weight of 253.05 g/mol. Its IUPAC name is 4-(aminomethyl)-5-bromo-6-(difluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name4-(aminomethyl)-5-bromo-6-(difluoromethyl)-1H-pyridin-2-one
PubChem CID118812865
Molecular FormulaC7H7BrF2N2O
Molecular Weight253.05 g/mol
Exact Mass251.97
IUPAC Name4-(aminomethyl)-5-bromo-6-(difluoromethyl)-1H-pyridin-2-one
SMILESNCc1cc(=O)[nH]c(C(F)F)c1Br
InChIInChI=1S/C7H7BrF2N2O/c8-5-3(2-11)1-4(13)12-6(5)7(9)10/h1,7H,2,11H2,(H,12,13)
InChIKeyWTQCMCUTXUNNSP-UHFFFAOYSA-N
XLogP1.53
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.05
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-(aminomethyl)-5-bromo-6-(difluoromethyl)-1H-pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-5-bromo-6-(difluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 4-(aminomethyl)-5-bromo-6-(difluoromethyl)-1H-pyridin-2-one (CID 118812865) is 4-(aminomethyl)-5-bromo-6-(difluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 4-(aminomethyl)-5-bromo-6-(difluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 4-(aminomethyl)-5-bromo-6-(difluoromethyl)-1H-pyridin-2-one is NCc1cc(=O)[nH]c(C(F)F)c1Br.
What is the InChIKey of 4-(aminomethyl)-5-bromo-6-(difluoromethyl)-1H-pyridin-2-one?
The InChIKey is WTQCMCUTXUNNSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrF2N2O/c8-5-3(2-11)1-4(13)12-6(5)7(9)10/h1,7H,2,11H2,(H,12,13).
What are the key properties of 4-(aminomethyl)-5-bromo-6-(difluoromethyl)-1H-pyridin-2-one?
4-(aminomethyl)-5-bromo-6-(difluoromethyl)-1H-pyridin-2-one has a molecular weight of 253.05 g/mol, XLogP of 1.53, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-5-bromo-6-(difluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 118812865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).